Beta-Alanine

Beta-Alanine

SCHEMBL4160809

Cc1cc(=O)oc2cc(N)ccc12.NCCC(=O)O

nearest known ligand 0.71

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.71
KDM4E B2RXH2 8/20 0.71
GLA P06280 6/20 0.71
GAA P10253 6/20 0.71
HPGD P15428 5/20 0.71
CA9 Q16790 5/20 0.71
HSD17B10 Q99714 4/20 0.71
CA12 O43570 4/20 0.71
CA1 P00915 4/20 0.71
CASP1 P29466 2/20 0.71
CASP7 P55210 2/20 0.71
KMT2A Q03164 3/20 0.55
MEN1 O00255 1/20 0.55
LMNA P02545 2/20 0.51
MAOB P27338 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
AKR1B1 P15121 1/20 0.51
UGT1A1 P22309 1/20 0.51
KDR P35968 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Glycine SCHEMBL335759 0.91 ALDH1A1 (0.77) ALDH1A1KDM4EGLAGAAHPGD
Glycine SCHEMBL4176892 0.89 ALDH1A1 (0.75) ALDH1A1KDM4EGLAGAAHPGD
Glycine SCHEMBL4627607 0.89 ALDH1A1 (0.75) ALDH1A1KDM4EGLAGAAHPGD
Acetic Acid SCHEMBL3998167 0.86 ALDH1A1 (0.84) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL8768513 0.85 ALDH1A1 (0.68) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL37677 0.84 ALDH1A1 (1.00) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL28806970 0.84 ALDH1A1 (1.00) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL29645144 0.84 ALDH1A1 (1.00) ALDH1A1KDM4EGLAGAAHPGD
D-Glutamate SCHEMBL28805166 0.84 ALDH1A1 (0.63) ALDH1A1KDM4EGLAGAAHPGD
Hydrochloric Acid SCHEMBL567469 0.83 ALDH1A1 (0.96) ALDH1A1KDM4EGLAGAAHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1352083-B1 COMPOSITIONS AND METHODS FOR DETECTING TARGET MICROORGANISMS IN A SAMPLE BIOCONTROL SYSTEMS INC (US) 2005-10-26 EP claimed
EP-1352083-A2 COMPOSITIONS AND METHODS FOR DETECTING TARGET MICROORGANISMS IN A SAMPLE BioControl Systems, Inc. (US) 2003-10-15 EP claimed
US-20020058298-A1 Compositions and methods for detecting target microorganisms in a sample BIOCONTROL SYSTEM, INC. (US) 2002-05-16 US claimed
WO-2002018625-A2 COMPOSITIONS AND METHODS FOR DETECTING TARGET MICROORGANISMS IN A SAMPLE BIOCONTROL SYSTEMS, INC. (US) 2002-03-07 WO claimed
US-7560246-B2 Compositions and methods for detecting target microorganisms in a sample BIOCONTROL SYSTEMS, INC. (US) 2009-07-14 US disclosed
EP-1352083-A2 COMPOSITIONS AND METHODS FOR DETECTING TARGET MICROORGANISMS IN A SAMPLE BioControl Systems, Inc. (US) 2003-10-15 EP disclosed
WO-2002018625-A2 COMPOSITIONS AND METHODS FOR DETECTING TARGET MICROORGANISMS IN A SAMPLE BIOCONTROL SYSTEMS, INC. (US) 2002-03-07 WO disclosed